| SpectraBase Compound ID | 11vHgyjeO6G |
|---|---|
| InChI | InChI=1S/C27H48O8S.Na/c1-15(2)7-6-8-16(3)21-24(35-36(32,33)34)23(30)22-18-13-20(29)27(31)14-17(28)9-12-26(27,5)19(18)10-11-25(21,22)4;/h15-24,28-31H,6-14H2,1-5H3,(H,32,33,34);/q;+1/p-1/t16-,17+,18?,19?,20-,21+,22?,23-,24-,25-,26-,27+;/m1./s1 |
| InChIKey | WTTTXRNOZPHQFG-AZSFYGEKSA-M |
| Mol Weight | 554.7 g/mol |
| Molecular Formula | C27H47NaO8S |
| Exact Mass | 554.288934 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7OC1ugW0FHw |
|---|---|
| Name | WTTTXRNOZPHQFG-AZSFYGEKSA-M |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H47NaO8S |
| InChI | InChI=1S/C27H48O8S.Na/c1-15(2)7-6-8-16(3)21-24(35-36(32,33)34)23(30)22-18-13-20(29)27(31)14-17(28)9-12-26(27,5)19(18)10-11-25(21,22)4;/h15-24,28-31H,6-14H2,1-5H3,(H,32,33,34);/q;+1/p-1/t16-,17+,18?,19?,20-,21+,22?,23-,24-,25-,26-,27+;/m1./s1 |
| InChIKey | WTTTXRNOZPHQFG-AZSFYGEKSA-M |
| Literature Reference Author | M.IORIZZI,P.BRYAN,J.MCCLINTOCK,L.MINALE,E.PALAGIANO,S.MAUREL LI,R.RICCIO,F.ZOLLO |
| Literature Reference Citation | J.NAT.PROD.,58,653(1995) |
| Literature Reference DOI | 10.1021/np50119a003 |
| Molecular Weight | 554.715 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVP4470 |